Information card for entry 4111909

Structure parameters

• Common name: [{Ni5(bptz)5(CH3CN)10}][SbF6]10ψ2CH3CN
• Formula: C84 H76 F60 N42 Ni5 Sb10
• Calculated formula: C84 H76 F58.9596 N42 Ni5 Sb9.8621
• Title of publication: Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes
• Authors of publication: Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12909 - 12923
• a: 17.933 ± 0.004 Å
• b: 28.314 ± 0.006 Å
• c: 29.459 ± 0.006 Å
• α: 90°
• β: 104.82 ± 0.03°
• γ: 90°
• Cell volume: 14460 ± 6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.3159
• Weighted residual factors for all reflections included in the refinement: 0.3433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No